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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Protostar mass functions in young clusters

In an improved model of protostar mass functions (PMFs), protostars gain mass from isothermal cores in turbulent clumps. Their mass accretion rate is similar to Shu accretion at low mass and to reduced Bondi accretion at high mass. Accretion durations follow a simple expression in which higher-mass protostars accrete for longer times. These times are set by ejections, stellar feedback, and gravitational competition, which terminate accretion and reduce its efficiency. The mass scale is the mass of a critically stable isothermal core. In steady state, the PMF approaches a power law at high mass because of competition between clump accretion and accretion stopping. The power law exponent is the ratio of the timescales of accretion and accretion stopping. The protostar luminosity function (PLF) peaks near 1 L {sub ☉} because of inefficient accretion of core gas. Models fit observed PLFs in four large embedded clusters. These indicate that their underlying PMFs may be top-heavy compared with the initial mass function, depending on the protostar radius model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

Spin Structure Functions in a Covariant Spectator Quark Model

We apply the covariant spectator quark–diquark model, already probed in the description of the nucleon elastic form factors, to the calculation of the deep inelastic scattering (DIS) spin-independent and spin-dependent structure functions of the nucleon. The nucleon wave function is given by a combination of quark–diquark orbital states, corresponding to S, D and P-waves. A simple form for the quark distribution function associated to the P and D waves is tested.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

FOKKER-PLANCK MODELS FOR M15 WITHOUT A CENTRAL BLACK HOLE: THE ROLE OF THE MASS FUNCTION

We have developed a set of dynamically evolving Fokker-Planck models for the collapsed-core globular star cluster M15, which directly address the issue of whether a central black hole is required to fit Hubble Space Telescope (HST) observations of the stellar spatial distribution and kinematics. As in our previous work reported by Dull et al., we find that a central black hole is not needed. Using local mass-function data from HST studies, we have also inferred the global initial stellar mass function. As a consequence of extreme mass segregation, the local mass functions differ from the global mass function at every location. In addition to reproducing the observed mass functions, the models also provide good fits to the star-count and velocity-dispersion profiles, and to the millisecond pulsar accelerations. We address concerns about the large neutron star populations adopted in our previous Fokker-Planck models for M15. We find that good model fits can be obtained with as few as 1600 neutron stars; this corresponds to a retention fraction of 5% of the initial population for our best-fit initial mass function. The models contain a substantial population of massive white dwarfs, that range in mass up to 1.2M{sub sun} . The combined contribution by the massive white dwarfs and neutron stars provides the gravitational potential needed to reproduce HST measurements of the central velocity-dispersion profile.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

Wall functions for the kappa-epsilon turbulence model in generalized nonorthogonal curvilinear coordinates

A k-epsilon turbulence model suitable for compressible flow, including the new wall function formulation, has been incorporated into an existing compressible Reynolds-averaged Navier-Stokes code, F3D. The low Reynolds number k-epsilon model of Chien (1982) was added for comparison with the present method. A number of features were added to the F3D code including improved far-field boundary conditions and viscous terms in the streamwise direction. A series of computations of increasing complexity was run to test the effectiveness of the new formulation. Flow over a flat plate was computed by using both orthogonal and nonorthogonal grids, and the friction coefficients and velocity profiles compared with a semi-empirical equation. Flow over a body of revolution at zero angle of attack was then computed to test the method's ability to handle flow over a curved surface. Friction coefficients and velocity profiles were compared to test data. All models gave good results on a relatively fine grid, but only the wall function formulation was effective with coarser grids. Finally, in order to demonstrate the method's ability to handle complex flow fields, separated flow over a prolate spheroid at angle of attack was computed, and results were compared to test data. The results were also compared to a k-epsilon model by Kim and Patel (1991), in which one equation model patched in at the wall was employed. Both models gave reasonable solutions, but improvement is required for accurate prediction of friction coefficients in the separated regions.

Sondak, D. L.↗
DOE OSTI2024

Toward a coordinated understanding of hydro‐biogeochemical root functions in tropical forests for application in vegetation models

Summary Tropical forest root characteristics and resource acquisition strategies are underrepresented in vegetation and global models, hampering the prediction of forest–climate feedbacks for these carbon‐rich ecosystems. Lowland tropical forests often have globally unique combinations of high taxonomic and functional biodiversity, rainfall seasonality, and strongly weathered infertile soils, giving rise to distinct patterns in root traits and functions compared with higher latitude ecosystems. We provide a roadmap for integrating recent advances in our understanding of tropical forest belowground function into vegetation models, focusing on water and nutrient acquisition. We offer comparisons of recent advances in empirical and model understanding of root characteristics that represent important functional processes in tropical forests. We focus on: (1) fine‐root strategies for soil resource exploration, (2) coupling and trade‐offs in fine‐root water vs nutrient acquisition, and (3) aboveground–belowground linkages in plant resource acquisition and use. We suggest avenues for representing these extremely diverse plant communities in computationally manageable and ecologically meaningful groups in models for linked aboveground–belowground hydro‐nutrient functions. Tropical forests are undergoing warming, shifting rainfall regimes, and exacerbation of soil nutrient scarcity caused by elevated atmospheric CO 2 . The accurate model representation of tropical forest functions is crucial for understanding the interactions of this biome with the climate.

Plant Sciences↗
DOE OSTI2023

Tailoring the Weight of Surface and Intralayer Edge States to Control LUMO Energies

Abstract The energies of the frontier molecular orbitals determine the optoelectronic properties in organic films, which are crucial for their application, and strongly depend on the morphology and supramolecular structure. The impact of the latter two properties on the electronic energy levels relies primarily on nearest‐neighbor interactions, which are difficult to study due to their nanoscale nature and heterogeneity. Here, an automated method is presented for fabricating thin films with a tailored ratio of surface to bulk sites and a controlled extension of domain edges, both of which are used to control nearest‐neighbor interactions. This method uses a Langmuir–Schaefer‐type rolling transfer of Langmuir layers (rtLL) to minimize flow during the deposition of rigid Langmuir layers composed of π‐conjugated molecules. Using UV–vis absorption spectroscopy, atomic force microscopy, and transmission electron microscopy, it is shown that the rtLL method advances the deposition of multi‐Langmuir layers and enables the production of films with defined morphology. The variation in nearest‐neighbor interactions is thus achieved and the resulting systematically tuned lowest unoccupied molecular orbital (LUMO) energies (determined via square‐wave voltammetry) enable the establishment of a model that functionally relates the LUMO energies to a morphological descriptor, allowing for the prediction of the range of accessible LUMO energies.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Vapor Phase Installation of CpCo(CO) 2 in MOF‐808

Metal-organic frameworks (MOFs), including MOF-808 present an opportunity for vapor phase installation of reactive centers that may serve as uniform sites for precision catalysis. The mechanism of cobalt installation in MOF-808 through atomic layer deposition (ALD) upon CpCo(CO )2 exposure is investigated through in situ FTIR spectroscopy complemented by density functional theory modeling. The role of subsequent H 2 O exposure in the hydrolysis of carbonyl and cyclopentadienyl ligands to complete the installation is also investigated. In situ FTIR study reveals that upon exposure of CpCo(CO) 2 to MOF-808 at 115 °C, a long-lived, stable intermediate is formed that presents carbonyl stretching vibrations similar to the undissociated precursor that are attributed to multiple chemisorbed carbonyl complexes. In MOF-808, cobalt species are initially absorbed near the BTC linker rather than directly on the nodes, revealing the importance of non-covalent interactions in the installation process. DFT suggests that H 2 O exposure promotes carbonyl elimination but leaves a cyclopentadienyl-capped cobalt that is more stable than the complete hydrolysis product. The simulations are consistent with cobalt installation in MOF-808 using CpCo(CO) 2 and H 2 O at 115 °C and further consistent with the lack of ALD thin film deposition of cobalt oxide thin films on planar supports.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Polycrystal Plasticity Models Based on Green’s Functions: Mean-Field Self-Consistent and Full-Field Fast Fourier Transform Formulations

We review two crystal plasticity methodologies based on Green’s functions for the prediction of microstructure-property relations in polycrystalline aggregates. The first, known as the viscoplastic self-consistent (VPSC) formulation, is a mean-field theory. The second, known as the viscoplastic fast Fourier transform-based (VPFFT) formulation, is a full-field method. Finally, the assumptions and main equations of these Green’s function-based crystal plasticity formulations are presented using a unified notation, pointing out their similarities and differences and cross-validating their predictions.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The Momentum Distribution of Liquid ⁴He

We report a high-resolution neutron Compton scattering study of liquid ⁴He under milli-Kelvin temperature control. To interpret the scattering data, we performed Quantum Monte Carlo calculations of the atomic momentum distribution and final state effects for the conditions of temperature and density considered in the experiment. There is excellent agreement between the observed scattering and ab initio calculations of its lineshape at all temperatures. We also used model fit functions to obtain from the scattering data empirical estimates of the average atomic kinetic energy and Bose condensate fraction. These quantities are also in excellent agreement with ab initio calculations. We conclude that contemporary Quantum Monte Carlo methods can furnish accurate predictions for the properties of Bose liquids, including the condensate fraction, close to the superfluid transition temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

High Order Anchoring and Reinitialization of Level Set Function for Simulating Interface Motion

A second order interface anchoring method has been developed and used with fast sweeping algorithm for reinitialization of a level set function. The algebraic anchoring formulation ensures that the location of the actual interface is preserved, leading to better mass conservation property. It also provides high order accurate algebraic constraint for solving the Eikonal equation on a finite difference grid. Geometric properties of the interface such as surface normal and curvature are subsequently computed from the reinitialized distance function. Various analytical functions for modeling distortion in level set field are considered and accuracy of reinitialization is evaluated using first and second order anchoring schemes. It is also shown that accurate computation of interface curvature requires a high order anchor in addition to a high order fast sweeping method. Mass conservation property of reinitialization is also analyzed by considering test problems from literature including the classic Rider–Kothe single vortex problem. The formulation is suitable for efficient parallelization for both distributed memory and on-node shared memory parallel systems. In conclusion, scalability and performance of the reinitialization scheme on multiple architectures are demonstrated.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

The Pfaffian Sign Theorem for the Dimer Model on a Triangular Lattice

We prove the Pfaffian Sign Theorem for the dimer model on a triangular lattice embedded in the torus. More specifically, we prove that the Pfaffian of the Kasteleyn periodic-periodic matrix is negative, while the Pfaffians of the Kasteleyn periodic-antiperiodic, antiperiodic-periodic, and antiperiodic-antiperiodic matrices are all positive. The proof is based on the Kasteleyn identities and on small weight expansions. As an application, we obtain an asymptotic behavior of the dimer model partition function with an exponentially small error term.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Direct uranium enrichment assay in gaseous uranium hexafluoride with laser induced breakdown spectroscopy

A set of eleven U atomic emission lines, between 421.099 and 421.460 nm, were characterized for direct enrichment assay of gaseous UF 6 samples with laser induced breakdown spectroscopy (LIBS). Several iterative, multivariate nonlinear spectral-fitting algorithms were evaluated for their efficacies to extract the enrichment information from the measured LIBS spectra. Furthermore, wavelength-dependent weight factors, which take into consideration of the spectral-line position in the fitting model, the determined isotopic ratio, and the isotopic shift of the emission line, are essential for the spectral-fitting model to function adequately. The analytical accuracies and precision were typically within 0.5% in absolute [ 235 U/( 235 U + 238 U)] ratios.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Thermal characterization of the build chamber in electron beam melting

Electron beam powder bed fusion, commonly termed electron beam melting (EBM), offers great versatility in multiple-part processes and can produce high quality as-built components due to low residual stresses. The EBM process is complex and requires careful thermal management, including uniform and consistent preheating of the powder bed, in order to ensure quality and consistency of the product. However, most of the simulations in the literature focus on the selective melting stage of the process. As of today, optimal conditions for initial pre-heating temperatures are only available for specific materials. Thus, in order to extend the EBM technology to other desired build materials, a much better understanding of the pre-heating stages is required. In this work, numerical and experimental approaches are combined in order to investigate the effects and sensitivities of heat removal from the build plate during EBM pre-heating stages. For this purpose, a carefully reconstructed numerical model of the build chamber of an ARCAM Q20 + machine is developed. It includes all main parts of the chamber and all relevant heat transfer mechanisms, whereas special attention is paid to radiation heat exchange between various bodies. In order to validate the model, dedicated experiments are performed, in which a system of thermocouples is installed in the build chamber, allowing direct measurement of the local temperatures of the start-plate and heat shields. A good agreement between the simulation and experimental findings is achieved, leading to a better understanding of the thermal processes characteristic to the pre-heating stages. This basic analysis is followed by a representative pre-heating case, where a powder bed is also considered. The energy required to obtain the desired pre-heating temperatures is evaluated, and the role of the powder bed in heat transfer within the chamber is assessed. The pre-heating stage, simulated in the present work, is supposed to create proper conditions for sintering and consequent melting of the powder, which are highly dependent on the local temperatures and heat transfer features. Thus, the findings of the reported work present a step towards a better understanding of the thermal processes that characterize EBM. The reported model can be further used to provide realistic boundary condition inputs for other meso- or macro-scale models as a function of time and geometry. The model can serve also for verification of machine settings, i.e., jump-safe and melt-safe ones which actually provide desired preheat, and for development of settings for new powders.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effects of downscaled high-resolution meteorological data on the PSCF identification of emission sources

The Potential Source Contribution Function (PSCF) model has been successfully used for identifying regions of emission source at a long distance in this study, the PSCF model relies on backward trajectories calculated by the Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model. In this study, we investigated the impacts of grid resolution and Planetary Boundary Layer (PBL) parameterization (e.g., turbulent transport of pollutants) on the PSCF analysis. The Mellor-Yamada-Janjic (MYJ) and Yonsei University (YUS) parameterization schemes were selected to model the turbulent transport in the PBL within the Weather Research and Forecasting (WRF version 3.6) model. Two separate domain grid sizes (83 and 27 km) were chosen in the WRF downscaling in generating the wind data for driving the HYSPLIT calculation. The effects of grid size and PBL parameterization are important in incorporating the influ- ence of regional and local meteorological processes such as jet streaks, blocking patterns, Rossby waves, and terrain-induced convection on the transport of pollutants by a wind trajectory. We found high resolution PSCF did discover and locate source areas more precisely than that with lower resolution meteorological inputs. The lack of anticipated improvement could also be because a PBL scheme chosen to produce the WRF data was only a local parameterization and unable to faithfully duplicate the real atmosphere on a global scale. The MYJ scheme was able to replicate PSCF source identification by those using the Reanalysis and discover additional source areas that was not identified by the Reanalysis data. In conclusion, a potential benefit for using high-resolution wind data in the PSCF modeling is that it could discover new source location in addition to those identified by using the Reanalysis data input.

54 ENVIRONMENTAL SCIENCES↗